CID 459278

2,4-dibromo-1-(n-methylacetamido)anthraquinone

Structural Information

Molecular Formula
C17H11Br2NO3
SMILES
CC(=O)N(C)C1=C(C=C(C2=C1C(=O)C3=CC=CC=C3C2=O)Br)Br
InChI
InChI=1S/C17H11Br2NO3/c1-8(21)20(2)15-12(19)7-11(18)13-14(15)17(23)10-6-4-3-5-9(10)16(13)22/h3-7H,1-2H3
InChIKey
ONYKIGAJWUWNJD-UHFFFAOYSA-N
Compound name
N-(2,4-dibromo-9,10-dioxoanthracen-1-yl)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.91058 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.91786 170.3
[M+Na]+ 457.89980 180.5
[M-H]- 433.90330 179.1
[M+NH4]+ 452.94440 186.7
[M+K]+ 473.87374 166.1
[M+H-H2O]+ 417.90784 176.7
[M+HCOO]- 479.90878 183.8
[M+CH3COO]- 493.92443 229.3
[M+Na-2H]- 455.88525 174.3
[M]+ 434.91003 205.8
[M]- 434.91113 205.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.